@MOLECULE (5z)-5-(1,3-benzodioxol-5-ylmethylene)-2-(isopropylamino)-3-methyl-3,5-dihydro-4h-imidazol-4-one 38 40 0 0 0 SMALL GASTEIGER @ATOM 1 C 2.0435 2.8291 1.4278 C.3 1 UNL111111111 -0.4955 2 C 3.4485 3.7407 -0.4676 C.3 1 UNL111111111 -0.4789 3 C 2.5380 2.5986 -0.0040 C.3 1 UNL111111111 0.1434 4 N 3.3173 1.3372 -0.1128 N.pl3 1 UNL111111111 -0.5291 5 C 2.6245 0.1536 -0.0324 C.2 1 UNL111111111 0.5220 6 N 1.2966 0.0140 -0.0751 N.2 1 UNL111111111 -0.5361 7 C 1.0046 -1.3728 -0.0999 C.2 1 UNL111111111 0.0321 8 C 2.3142 -2.1246 -0.0879 C.2 1 UNL111111111 0.5436 9 N 3.3001 -1.1007 0.0310 N.am 1 UNL111111111 -0.5474 10 O 2.5712 -3.2949 -0.1263 O.2 1 UNL111111111 -0.4440 11 C -0.1957 -1.9770 -0.0940 C.2 1 UNL111111111 -0.1018 12 C -1.4987 -1.3332 -0.0299 C.ar 1 UNL111111111 -0.0051 13 C -1.6700 0.0245 -0.3808 C.ar 1 UNL111111111 -0.1413 14 C -2.9438 0.5245 -0.2739 C.ar 1 UNL111111111 0.1037 15 C -4.0331 -0.2615 0.1626 C.ar 1 UNL111111111 0.1353 16 C -3.8842 -1.5846 0.5062 C.ar 1 UNL111111111 -0.2060 17 C -2.5867 -2.1078 0.3963 C.ar 1 UNL111111111 -0.1433 18 C 4.7274 -1.3091 -0.1211 C.3 1 UNL111111111 -0.2132 19 O -3.3693 1.8031 -0.5545 O.3 1 UNL111111111 -0.3427 20 C -4.7852 1.8010 -0.2745 C.3 1 UNL111111111 0.1559 21 O -5.1837 0.4858 0.1758 O.3 1 UNL111111111 -0.3445 22 H 1.5047 3.7794 1.5093 H 1 UNL111111111 0.1586 23 H 1.3377 2.0372 1.7272 H 1 UNL111111111 0.1801 24 H 2.8580 2.8433 2.1559 H 1 UNL111111111 0.1453 25 H 1.6529 2.5033 -0.6960 H 1 UNL111111111 0.1716 26 H 4.2881 3.9084 0.2143 H 1 UNL111111111 0.1473 27 H 3.8608 3.5422 -1.4656 H 1 UNL111111111 0.1604 28 H 2.8845 4.6793 -0.5296 H 1 UNL111111111 0.1599 29 H 4.2530 1.3624 0.2724 H 1 UNL111111111 0.3043 30 H -0.2153 -3.0777 -0.1180 H 1 UNL111111111 0.1748 31 H 5.2773 -0.8885 0.7393 H 1 UNL111111111 0.1426 32 H 4.9404 -2.3990 -0.1554 H 1 UNL111111111 0.1811 33 H 5.1116 -0.8577 -1.0535 H 1 UNL111111111 0.1464 34 H -0.8300 0.6392 -0.7113 H 1 UNL111111111 0.2101 35 H -2.4287 -3.1536 0.6610 H 1 UNL111111111 0.1602 36 H -4.7172 -2.1918 0.8426 H 1 UNL111111111 0.1724 37 H -4.9670 2.5048 0.5490 H 1 UNL111111111 0.1387 38 H -5.3153 2.0067 -1.2144 H 1 UNL111111111 0.1393 @BOND 1 1 3 1 2 1 22 1 3 1 23 1 4 1 24 1 5 2 3 1 6 2 26 1 7 2 27 1 8 2 28 1 9 3 4 1 10 3 25 1 11 4 5 1 12 4 29 1 13 5 6 2 14 5 9 1 15 6 7 1 16 7 8 1 17 7 11 2 18 8 9 am 19 8 10 2 20 9 18 1 21 11 12 1 22 11 30 1 23 12 13 ar 24 12 17 ar 25 13 14 ar 26 13 34 1 27 14 15 ar 28 14 19 1 29 15 16 ar 30 15 21 1 31 16 17 ar 32 16 36 1 33 17 35 1 34 18 31 1 35 18 32 1 36 18 33 1 37 19 20 1 38 20 21 1 39 20 37 1 40 20 38 1